Decay Properties of Spectral Projectors with Applications to Electronic Structure
نویسندگان
چکیده
منابع مشابه
Decay Properties of Spectral Projectors with Applications to Electronic Structure
Motivated by applications in quantum chemistry and solid state physics, we apply general results from approximation theory and matrix analysis to the study of the decay properties of spectral projectors associated with large and sparse Hermitian matrices. Our theory leads to a rigorous proof of the exponential off-diagonal decay (“nearsightedness”) for the density matrix of gapped systems at ze...
متن کاملinvestigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولChitin and Chitosan: Structure, Properties and Applications
Chitin and chitosan are the most abundant natural amino polysaccharide that are non-toxic, biodegradable and biocompatible. They have become of great interest not only as an underutilized resource, but also as a new functional material of high potential in various fields. They are biopolymers having immense structural possibilities for chemical and mechanical modifications to generate novel pro...
متن کاملComputation of pseudospectra via spectral projectors
In this note, we discuss new techniques for analyzing the pseudospectra of matrices and propose a numerical method for computing the spectral projector associated with a group of eigenvalues enclosed by a polygonal curve. Numerital tests are reported.
متن کاملSpectral and Electronic Properties of Nitrosylcobalamin
Nitrosylcobalamin (NOCbl) is readily formed when Co(II)balamin reacts with nitric oxide (NO) gas. NOCbl has been implicated in the inhibition of various B12-dependent enzymes, as well as in the modulation of blood pressure and of the immunological response. Previous studies revealed that among the known biologically relevant cobalamin species, NOCbl possesses the longest bond between the Co ion...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: SIAM Review
سال: 2013
ISSN: 0036-1445,1095-7200
DOI: 10.1137/100814019